(4-acetamidophenyl) 5-bromanyl-2-phenethyloxy-benzoate

Systemtic Name: (4-acetamidophenyl) 5-bromanyl-2-phenethyloxy-benzoate Openeye Name: (4-acetamidophenyl) 5-bromo-2-phenethyloxy-benzoate CAS Name: 5-bromo-2-phenethyloxybenzoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 5-bromo-2-phenethyloxybenzoate Traditional Name: 5-bromo-2-phenethyloxy-benzoic acid (4-acetamidophenyl) ester Formula: C23H20BrNO4 MolecularWeight: 454.3132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C23H20BrNO4/c1-16(26)25-19-8-10-20(11-9-19)29-23(27)21-15-18(24)7-12-22(21)28-14-13-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H,25,26)